6-Bromo-2-tetralone

C₁₀H₉BrOCAS 4133-35-1225.08 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₀H₉BrO
Molar mass: 225.08 g/mol
Exact mass: 223.9837 Da
Melting point: 74.5–75.5 °C
logP: 2.51Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

4133-35-1

SMILES

O=C1CCc2cc(Br)ccc2C1

InChIKey

BYHKDUFPSJWJDI-UHFFFAOYSA-N

InChI

InChI=1S/C10H9BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

2(1H)-Naphthalenone, 6-bromo-3,4-dihydro-
6-Bromo-3,4-dihydro-2(1H)-naphthalenone
6-Bromo-β-tetralone
6-Bromo-3,4-dihydro-1H-naphthalen-2-one
6-Bromo-3,4-dihydronaphthalen-2(1H)-one

Work with 6-Bromo-2-tetralone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromobicyclo[4.2.0]octa-1,3,5-triene1073-39-853 % similar 5-Bromo-1-indanone34598-49-753 % similar 7-Methoxy-2-tetralone4133-34-048 % similar 5-Bromo-2-oxindole20870-78-444 % similar 5-Bromophthalide64169-34-244 % similar 2,5-Dibromobenzeneacetic acid203314-28-743 % similar 6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one1017783-09-340 % similar 2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(4-Bromophenyl)cyclopropylmethanone6952-89-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook